Structure Database (LMSD)

Common Name
CerPE(d16:0(15Me)/14:0(13Me))
Systematic Name
N-(13-methyltetradecanoyl)-15-methylhexadecasphinganine-1-phosphoethanolamine
Synonyms
LM ID
LMSP03020096
Formula
C34H71N2O6P
Exact Mass
Calculate m/z
634.504976
Sum Composition
CerPE 32:0;O2
Abbrev Chains
CerPE 17:0;O2/15:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Phosphosphingolipids [SP03]
Ceramide phosphoethanolamines [SP0302]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sphingobacterium spiritivorum (#258)
Sphingobacteriia (#117747)
Structural analysis of sphingophospholipids derived from Sphingobacterium spiritivorum, the type species of genus Sphingobacterium.,
Biochim Biophys Acta, 2003
Pubmed ID: 14729071

String Representations

InChiKey (Click to copy)
RWVLYQHMMCZLKM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C34H71N2O6P/c1-30(2)23-19-15-11-7-5-9-13-17-21-25-33(37)32(29-42-43(39,40)41-28-27-35)36-34(38)26-22-18-14-10-6-8-12-16-20-24-31(3)4/h30-33,37H,5-29,35H2,1-4H3,(H,36,38)(H,39,40)
SMILES (Click to copy)
C(COP(=O)(O)OCCN)(NC(CCCCCCCCCCCC(C)C)=O)C(O)CCCCCCCCCCCC(C)C

Other Databases

PubChem CID
101749186

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 688.69
Topological Polar Surface Area 131.11
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 10.42
Molar Refractivity 182.33

Admin

Created at
23rd Oct 2020
Updated at
26th May 2022